CID 22278903

117565-57-8

Structural Information

Molecular Formula

C₁₂H₂₁NO₃

SMILES

CCC1CN(CCC1=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C12H21NO3/c1-5-9-8-13(7-6-10(9)14)11(15)16-12(2,3)4/h9H,5-8H2,1-4H3

InChIKey

HGJKZGGZDSJORL-UHFFFAOYSA-N

Compound name

tert-butyl 3-ethyl-4-oxopiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 111
Patents: 227.15215 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	228.159426	153.0
[M+Na]+	250.141368	158.8
[M-H]-	226.144874	154.7
[M+NH4]+	245.185973	170.3
[M+K]+	266.115308	158.2
[M+H-H2O]+	210.149410	147.1
[M+HCOO]-	272.150351	169.5
[M+CH3COO]-	286.166001	190.0
[M+Na-2H]-	248.126816	155.1
[M]+	227.15160142	152.7
[M]-	227.15269858	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe